Geometry & MOs

Info

ID:	51443
PubChem CID:	12014113
Reduced:	N3C12H25 (2)
Stoich.:	A3B12C25 (2)
Weight, g/mol:	290.083747
ΔH_f, kcal/mol:	186.7
Dipole, Da:	7.92
IP(EA), eV:	-6.15(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,12-trimethyl-5-oxa-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)NCCCNCCCN[C@@H]3CCCC[C@H]3NCCCNCCCN2

DOS

IR

Vibrations